#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pav n ASP 2 N 0.00 0.41 0.00 6.12 2.03 -1.26 -4.89 116.55 118.95 1pav n ASP 2 Ca 0.00 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.61 1pav n ASP 2 Cb 0.00 0.90 0.00 0.00 -0.72 0.00 0.00 41.12 41.30 1pav n ASP 2 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1pav n VAL 3 N -0.98 0.00 -0.75 5.18 0.31 -1.26 -3.39 118.33 117.43 1pav n VAL 3 Ca 0.01 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.43 1pav n VAL 3 Cb 0.10 0.00 0.38 0.00 -0.91 0.00 0.00 33.84 33.41 1pav n VAL 3 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1pav n LYS 4 N 0.00 4.27 -2.52 5.55 3.00 -1.26 -4.96 118.16 122.24 1pav n LYS 4 Ca 0.00 -3.03 -0.38 0.00 -0.00 0.00 0.00 58.31 54.90 1pav n LYS 4 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 35.03 32.92 1pav n LYS 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1pav s PRO 5 N -2.26 4.42 -0.32 1.64 0.04 -1.22 -4.93 135.00 132.38 1pav s PRO 5 Ca 0.53 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 1pav s PRO 5 Cb 0.37 -2.89 0.06 0.00 0.04 0.00 0.00 34.50 32.09 1pav s PRO 5 CO 0.21 0.06 0.04 0.34 0.04 0.00 0.00 177.00 177.69 1pav s ASP 6 N -1.22 4.94 0.37 6.66 -1.08 -1.13 -4.01 116.67 121.20 1pav s ASP 6 Ca 0.51 -1.45 -0.14 0.00 -0.52 0.00 0.00 52.55 50.94 1pav s ASP 6 Cb -0.27 -1.73 0.05 0.00 -1.46 0.00 0.00 42.92 39.51 1pav s ASP 6 CO 0.34 -0.32 0.74 -0.60 0.52 0.00 0.00 175.17 175.86 1pav s ARG 7 N 1.21 2.16 -0.35 4.34 3.52 -1.26 -4.81 118.95 123.76 1pav s ARG 7 Ca -0.02 -1.45 -0.04 0.00 -0.13 0.00 0.00 55.73 54.10 1pav s ARG 7 Cb -0.20 0.60 0.07 0.00 -1.56 0.00 0.00 34.95 33.86 1pav s ARG 7 CO -0.02 -0.99 0.11 0.08 -0.81 0.00 0.00 175.30 173.66 1pav s VAL 8 N -2.54 3.33 -0.22 7.11 1.01 -1.26 -4.25 120.40 123.57 1pav s VAL 8 Ca 0.17 -1.57 -0.03 0.00 0.00 0.00 0.00 61.98 60.55 1pav s VAL 8 Cb -0.05 -3.04 0.11 0.00 0.00 0.00 0.00 36.38 33.40 1pav s VAL 8 CO 0.12 -0.35 0.29 -0.63 0.00 0.00 0.00 175.10 174.53 1pav s ILE 9 N 1.25 -0.44 -0.17 2.22 1.01 -0.42 -4.97 121.20 119.68 1pav s ILE 9 Ca 0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 1pav s ILE 9 Cb -0.21 -0.73 0.05 0.00 0.01 0.00 0.00 42.46 41.58 1pav s ILE 9 CO -0.01 -0.17 0.42 1.51 0.00 0.00 0.00 174.94 176.69 1pav s ASP 10 N 2.42 -0.50 -0.09 3.58 3.84 -1.24 0.38 116.67 125.05 1pav s ASP 10 Ca 0.09 0.90 -0.01 0.00 -0.00 0.00 0.00 52.55 53.53 1pav s ASP 10 Cb -0.16 0.82 0.03 0.00 -1.38 0.00 0.00 42.92 42.23 1pav s ASP 10 CO -0.14 -0.18 -0.02 0.00 -0.00 0.00 0.00 175.17 174.84 1pav s ALA 11 N 1.01 0.90 -0.48 2.11 0.00 7.53 -4.74 121.76 128.09 1pav s ALA 11 Ca -0.06 -0.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.51 1pav s ALA 11 Cb -0.06 -0.82 0.12 0.00 0.00 0.00 0.00 23.12 22.35 1pav s ALA 11 CO -0.08 -0.49 0.37 1.03 0.00 0.00 0.00 175.76 176.58 1pav s ARG 12 N 1.89 2.56 0.00 0.00 1.81 -1.26 -1.38 118.95 122.57 1pav s ARG 12 Ca 0.05 -1.75 0.00 0.00 -1.72 0.00 0.00 55.73 52.31 1pav s ARG 12 Cb -0.13 -3.98 0.00 0.00 -0.45 0.00 0.00 34.95 30.39 1pav s ARG 12 CO -0.06 -1.21 0.00 0.41 -0.68 0.00 0.00 175.30 173.76 1pav n GLY 13 N 4.96 0.67 0.40 -3.53 0.00 -1.26 -4.78 105.19 101.64 1pav n GLY 13 Ca -0.09 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.36 1pav n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pav n SER 14 N 1.35 1.23 0.00 1.61 2.88 -1.26 -4.38 113.62 115.04 1pav n SER 14 Ca 0.00 -1.45 0.00 0.00 -1.33 0.00 0.00 58.87 56.09 1pav n SER 14 Cb 0.09 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1pav n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pav n TYR 15 N -0.03 -0.13 0.00 0.66 4.11 -1.26 3.36 117.16 123.87 1pav n TYR 15 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.09 1pav n TYR 15 Cb 0.30 0.10 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 1pav n TYR 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pav n PRO 17 N 0.00 1.03 0.02 0.00 -0.04 0.39 0.38 135.00 136.77 1pav n PRO 17 Ca 0.00 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.68 1pav n PRO 17 Cb 0.00 0.00 0.73 0.00 -0.04 0.00 0.00 33.50 34.19 1pav n PRO 17 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1pav h GLY 18 N 0.00 0.00 2.00 0.55 0.00127.90 0.98 103.07 234.51 1pav h GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pav h GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 174.99 1pav n PRO 19 N -3.99 0.02 -0.58 4.80 -0.04 -1.14 -3.51 135.00 130.56 1pav n PRO 19 Ca 0.10 0.14 0.46 0.00 -0.04 0.00 0.00 63.50 64.16 1pav n PRO 19 Cb 0.68 -1.53 0.77 0.00 -0.04 0.00 0.00 33.50 33.38 1pav n PRO 19 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1pav h LEU 20 N 0.00 0.07 0.00 1.53 6.46 0.90 3.95 115.31 128.22 1pav h LEU 20 Ca 0.00 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 1pav h LEU 20 Cb 0.39 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1pav h LEU 20 CO 0.00 -0.06 -1.30 0.23 -0.62 0.00 0.00 178.44 176.70 1pav n MET 21 N -4.19 0.62 -0.27 1.25 2.81 -1.23 -3.36 117.12 112.76 1pav n MET 21 Ca 0.40 0.09 0.21 0.00 -1.81 0.00 0.00 57.70 56.58 1pav n MET 21 Cb 1.75 -1.76 0.52 0.00 -0.71 0.00 0.00 33.22 33.01 1pav n MET 21 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1pav h GLU 22 N 0.00 0.38 0.11 0.03 3.07 0.74 0.90 114.58 119.81 1pav h GLU 22 Ca -0.05 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1pav h GLU 22 Cb 1.16 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1pav h GLU 22 CO 0.01 0.25 -0.05 -0.07 -1.40 0.00 0.00 179.01 177.75 1pav h LEU 23 N 0.39 -0.12 -1.29 1.33 3.38 -1.66 0.55 115.31 117.88 1pav h LEU 23 Ca 0.50 -0.45 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1pav h LEU 23 Cb 1.29 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 1pav h LEU 23 CO -0.20 0.47 0.55 0.16 0.09 0.00 0.00 178.44 179.51 1pav h ILE 24 N -0.81 0.93 0.00 1.22 3.07 -1.31 2.64 117.51 123.25 1pav h ILE 24 Ca -0.01 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 66.13 1pav h ILE 24 Cb 0.57 0.10 0.00 0.00 -0.27 0.00 0.00 36.82 37.21 1pav h ILE 24 CO 0.02 0.14 -0.36 2.29 -1.05 0.00 0.00 178.15 179.19 1pav n LYS 25 N -4.52 0.20 -0.07 0.16 -0.00 0.30 -3.85 118.16 110.36 1pav n LYS 25 Ca 0.15 0.09 -0.22 0.00 -0.00 0.00 0.00 58.31 58.33 1pav n LYS 25 Cb 0.35 -1.66 -0.12 0.00 -0.00 0.00 0.00 35.03 33.60 1pav n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pav n ALA 26 N -1.72 0.83 -0.49 0.58 0.00 0.20 -4.08 120.51 115.84 1pav n ALA 26 Ca 0.05 -0.54 0.41 0.00 0.00 0.00 0.00 53.44 53.35 1pav n ALA 26 Cb 0.41 -0.57 0.72 0.00 0.00 0.00 0.00 19.45 20.01 1pav n ALA 26 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1pav h TYR 27 N -0.69 0.24 0.00 0.00 -0.00 0.42 4.44 116.97 121.38 1pav h TYR 27 Ca -0.39 0.01 -0.01 0.00 0.00 0.00 0.00 58.73 58.34 1pav h TYR 27 Cb 1.53 -0.06 -0.00 0.00 0.00 0.00 0.00 36.73 38.20 1pav h TYR 27 CO 0.08 -0.07 -0.07 0.87 -0.00 0.00 0.00 178.16 178.97 1pav h LYS 28 N 0.06 0.00 -0.07 0.10 1.79 -1.71 -2.79 116.57 113.96 1pav h LYS 28 Ca 0.78 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 59.17 1pav h LYS 28 Cb 2.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.45 1pav h LYS 28 CO -0.18 0.07 -0.26 0.37 -1.08 0.00 0.00 179.45 178.37 1pav h GLN 29 N 0.00 0.30 0.00 3.15 -0.00 0.85 -3.45 115.11 115.96 1pav h GLN 29 Ca -0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 1pav h GLN 29 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.00 1pav h GLN 29 CO 0.01 0.86 0.00 0.00 0.00 0.00 0.00 178.83 179.70 1pav n ALA 30 N -2.49 0.00 -2.90 3.38 0.00 -1.05 -5.13 120.51 112.32 1pav n ALA 30 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1pav n ALA 30 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 1pav n ALA 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1pav s LYS 31 N 0.95 1.17 0.15 0.00 0.00 -1.26 -4.98 119.74 115.77 1pav s LYS 31 Ca 0.00 -1.00 -0.34 0.00 0.00 0.00 0.00 55.97 54.63 1pav s LYS 31 Cb 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 37.83 38.10 1pav s LYS 31 CO 0.00 -0.45 1.35 1.55 0.00 0.00 0.00 175.35 177.80 1pav n VAL 32 N -0.23 0.39 -0.42 1.79 3.14 -1.22 -0.38 118.33 121.40 1pav n VAL 32 Ca -0.10 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1pav n VAL 32 Cb 0.63 -1.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.34 1pav n VAL 32 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pav n GLY 33 N 2.51 0.74 3.91 7.55 0.00 50.47 -4.65 105.19 165.71 1pav n GLY 33 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1pav n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pav s GLU 34 N -0.58 2.31 0.05 1.61 2.56 0.64 -4.71 118.70 120.58 1pav s GLU 34 Ca 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 54.97 53.07 1pav s GLU 34 Cb 0.00 -2.21 -0.03 0.00 2.00 0.00 0.00 34.13 33.88 1pav s GLU 34 CO 0.00 -0.55 -0.01 0.14 -0.56 0.00 0.00 175.26 174.28 1pav s VAL 35 N -2.70 0.20 -0.15 3.70 -7.23 -1.18 1.51 120.40 114.56 1pav s VAL 35 Ca 0.40 -1.67 -0.13 0.00 -1.81 0.00 0.00 61.98 58.77 1pav s VAL 35 Cb -0.03 -1.40 0.04 0.00 0.56 0.00 0.00 36.38 35.55 1pav s VAL 35 CO 0.25 -0.92 0.39 0.27 -0.31 0.00 0.00 175.10 174.78 1pav s ILE 36 N -3.71 -0.00 -0.14 -0.62 -0.00 0.98 -2.85 121.20 114.85 1pav s ILE 36 Ca 0.05 0.01 -0.05 0.00 -0.00 0.00 0.00 60.65 60.66 1pav s ILE 36 Cb 0.06 -0.55 -0.04 0.00 -0.00 0.00 0.00 42.46 41.93 1pav s ILE 36 CO -0.09 0.00 0.03 -0.55 -0.00 0.00 0.00 174.94 174.33 1pav s SER 37 N 0.31 5.37 0.41 4.36 0.15 -1.26 0.10 113.70 123.15 1pav s SER 37 Ca -0.01 0.07 0.06 0.00 0.70 0.00 0.00 55.95 56.78 1pav s SER 37 Cb -0.03 -1.79 -0.07 0.00 -1.71 0.00 0.00 66.02 62.41 1pav s SER 37 CO -0.01 0.25 0.02 0.54 1.20 0.00 0.00 173.24 175.24 1pav s VAL 38 N -0.08 1.82 0.16 4.45 0.11 2.08 -1.31 120.40 127.63 1pav s VAL 38 Ca 0.05 -2.00 -0.13 0.00 -2.93 0.00 0.00 61.98 56.97 1pav s VAL 38 Cb -0.12 -2.90 0.01 0.00 -1.53 0.00 0.00 36.38 31.84 1pav s VAL 38 CO 0.02 0.00 0.37 -0.72 -3.33 0.00 0.00 175.10 171.43 1pav s TYR 39 N -2.80 0.09 0.18 1.54 1.13 1.22 -0.13 117.35 118.57 1pav s TYR 39 Ca 0.33 -0.45 -0.23 0.00 -1.41 0.00 0.00 57.07 55.32 1pav s TYR 39 Cb 0.09 0.14 0.08 0.00 -1.10 0.00 0.00 41.96 41.17 1pav s TYR 39 CO 0.16 -0.75 1.03 0.45 -2.51 0.00 0.00 175.55 173.93 1pav s SER 40 N -2.89 -0.02 0.00 -0.18 0.15 53.01 1.06 113.70 164.83 1pav s SER 40 Ca 0.10 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1pav s SER 40 Cb 0.02 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1pav s SER 40 CO -0.05 -0.97 0.00 0.41 1.20 0.00 0.00 173.24 173.83 1pav n THR 41 N -0.67 0.00 0.21 6.45 -1.04 -0.48 1.69 114.28 120.45 1pav n THR 41 Ca -0.03 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.13 1pav n THR 41 Cb 0.60 -0.26 0.62 0.00 -1.82 0.00 0.00 70.33 69.46 1pav n THR 41 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1pav h ASP 42 N 0.00 0.00 -1.26 8.00 -0.00 -1.87 -3.44 116.42 117.85 1pav h ASP 42 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.03 56.72 1pav h ASP 42 Cb 0.27 0.00 -0.08 0.00 -0.00 0.00 0.00 39.33 39.51 1pav h ASP 42 CO 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 179.24 178.92 1pav n ALA 43 N -1.98 -0.31 -0.09 -0.78 0.00 -1.26 -4.74 120.51 111.35 1pav n ALA 43 Ca 0.04 0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 1pav n ALA 43 Cb 0.67 -1.66 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 1pav n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pav n GLY 44 N -1.09 -0.27 0.23 0.00 0.00 -1.24 -4.47 105.19 98.36 1pav n GLY 44 Ca -0.16 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1pav n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pav h THR 45 N 0.00 0.83 -1.06 2.61 1.03 2.07 1.13 112.91 119.51 1pav h THR 45 Ca -0.40 -0.79 0.28 0.00 -0.01 0.00 0.00 66.41 65.49 1pav h THR 45 Cb 1.64 1.47 -0.09 0.00 -1.07 0.00 0.00 68.15 70.10 1pav h THR 45 CO -0.06 0.20 0.70 0.50 -0.01 0.00 0.00 175.52 176.85 1pav h LYS 46 N 0.00 0.30 0.10 0.00 3.64 -1.71 42.44 116.57 161.34 1pav h LYS 46 Ca -0.00 -0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.01 1pav h LYS 46 Cb 0.45 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1pav h LYS 46 CO 0.03 0.20 -1.92 0.36 -2.27 0.00 0.00 179.45 175.84 1pav n LYS 47 N -4.55 0.73 0.03 1.90 0.00 -0.92 -4.23 118.16 111.12 1pav n LYS 47 Ca 0.25 0.30 -0.12 0.00 -0.00 0.00 0.00 58.31 58.75 1pav n LYS 47 Cb 0.95 -1.70 -0.14 0.00 -0.00 0.00 0.00 35.03 34.14 1pav n LYS 47 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1pav h ASP 48 N -0.10 0.17 -0.95 -5.58 3.32 0.91 -3.33 116.42 110.85 1pav h ASP 48 Ca -0.42 -0.26 0.27 0.00 0.02 0.00 0.00 57.03 56.64 1pav h ASP 48 Cb 1.92 -0.05 -0.17 0.00 0.22 0.00 0.00 39.33 41.24 1pav h ASP 48 CO 0.03 1.22 0.09 0.00 -1.72 0.00 0.00 179.24 178.86 1pav h ALA 49 N 0.76 1.23 0.00 3.45 0.00 10.60 5.54 119.26 140.82 1pav h ALA 49 Ca -0.21 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pav h ALA 49 Cb 1.96 0.52 0.00 0.00 0.00 0.00 0.00 17.79 20.27 1pav h ALA 49 CO 0.12 -0.57 0.00 -0.35 0.00 0.00 0.00 179.25 178.45 1pav n PRO 50 N -5.42 0.75 -0.08 0.00 -0.04 -1.23 -2.46 135.00 126.52 1pav n PRO 50 Ca 0.23 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.59 1pav n PRO 50 Cb 0.76 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.89 1pav n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pav n ALA 51 N -0.72 1.62 -0.17 0.55 0.00 1.79 -4.20 120.51 119.37 1pav n ALA 51 Ca 0.08 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1pav n ALA 51 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1pav n ALA 51 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1pav n TRP 52 N -2.76 0.00 -0.29 0.00 8.01 -0.25 -0.99 117.44 121.16 1pav n TRP 52 Ca -0.28 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.02 1pav n TRP 52 Cb 0.93 -0.42 0.25 0.00 -2.01 0.00 0.00 31.31 30.06 1pav n TRP 52 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1pav h ILE 53 N 0.00 0.31 -0.76 -0.99 -0.00 -1.82 0.38 117.51 114.63 1pav h ILE 53 Ca 0.00 -0.06 0.29 0.00 -0.00 0.00 0.00 64.86 65.10 1pav h ILE 53 Cb 0.00 0.12 -0.11 0.00 -0.00 0.00 0.00 36.82 36.83 1pav h ILE 53 CO 0.00 0.03 0.44 1.67 -0.00 0.00 0.00 178.15 180.29 1pav n GLN 54 N -5.27 -0.03 -0.13 2.19 7.27 -0.16 0.12 117.38 121.37 1pav n GLN 54 Ca 0.19 0.90 -0.18 0.00 0.07 0.00 0.00 57.00 57.98 1pav n GLN 54 Cb 0.63 -1.66 -0.12 0.00 2.41 0.00 0.00 30.24 31.50 1pav n GLN 54 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1pav n LYS 55 N -4.35 0.65 -0.25 3.69 4.01 0.11 -4.55 118.16 117.47 1pav n LYS 55 Ca 0.26 0.14 -0.10 0.00 -0.51 0.00 0.00 58.31 58.10 1pav n LYS 55 Cb 0.93 -1.51 -0.08 0.00 -0.51 0.00 0.00 35.03 33.85 1pav n LYS 55 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1pav h SER 56 N 0.00 -1.73 0.00 4.39 0.02 0.30 -3.46 113.55 113.07 1pav h SER 56 Ca -0.57 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1pav h SER 56 Cb 1.90 0.74 0.00 0.00 0.14 0.00 0.00 62.40 65.19 1pav h SER 56 CO -0.08 -0.26 0.00 0.61 -1.14 0.00 0.00 176.83 175.96 1pav n GLY 57 N -1.26 1.90 3.78 -3.77 0.00 0.19 -4.78 105.19 101.25 1pav n GLY 57 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1pav n GLY 57 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pav s GLN 58 N 0.00 2.76 0.22 1.61 -2.07 -1.25 0.47 119.66 121.41 1pav s GLN 58 Ca 0.00 -1.12 -0.32 0.00 -1.82 0.00 0.00 55.36 52.10 1pav s GLN 58 Cb 0.00 -2.47 -0.13 0.00 -1.09 0.00 0.00 33.01 29.32 1pav s GLN 58 CO 0.00 0.40 1.52 0.39 -1.32 0.00 0.00 175.29 176.28 1pav n GLU 59 N -1.01 2.27 -2.50 9.60 -0.58 24.73 -4.09 120.64 149.05 1pav n GLU 59 Ca -0.08 0.81 -0.43 0.00 -0.42 0.00 0.00 57.16 57.05 1pav n GLU 59 Cb 0.58 -2.54 -0.02 0.00 -0.57 0.00 0.00 31.44 28.88 1pav n GLU 59 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1pav s LEU 60 N 0.32 4.19 0.00 -4.62 2.96 -1.26 0.34 118.68 120.61 1pav s LEU 60 Ca 0.71 1.64 0.07 0.00 -0.22 0.00 0.00 54.13 56.33 1pav s LEU 60 Cb -0.61 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 42.60 1pav s LEU 60 CO 0.44 -0.69 0.58 1.33 -1.32 0.00 0.00 176.35 176.69 1pav n VAL 61 N 5.16 0.00 -3.67 1.68 0.24 -1.07 0.22 118.33 120.89 1pav n VAL 61 Ca 0.13 -2.13 -0.27 0.00 -2.04 0.00 0.00 64.34 60.03 1pav n VAL 61 Cb 0.46 -0.21 -0.17 0.00 -1.47 0.00 0.00 33.84 32.45 1pav n VAL 61 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1pav s GLY 62 N -4.45 0.53 -0.30 7.63 0.00 -1.26 -4.79 107.32 104.67 1pav s GLY 62 Ca 0.44 -0.53 -0.02 0.00 0.00 0.00 0.00 44.72 44.61 1pav s GLY 62 CO 0.28 1.60 0.71 -1.34 0.00 0.00 0.00 173.10 174.35 1pav s VAL 63 N 2.00 -0.83 -0.05 1.40 -7.23 -1.26 -4.99 120.40 109.43 1pav s VAL 63 Ca 0.01 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.16 1pav s VAL 63 Cb -0.17 -0.93 0.04 0.00 0.56 0.00 0.00 36.38 35.88 1pav s VAL 63 CO -0.10 0.00 0.10 -0.36 -0.31 0.00 0.00 175.10 174.44 1pav s PHE 64 N 2.87 -0.08 -0.26 2.82 0.08 -1.26 -4.21 117.98 117.95 1pav s PHE 64 Ca 0.15 0.38 -0.14 0.00 0.12 0.00 0.00 56.93 57.44 1pav s PHE 64 Cb -0.12 -0.24 0.08 0.00 -0.57 0.00 0.00 43.02 42.18 1pav s PHE 64 CO -0.21 -0.17 0.62 0.34 -0.10 0.00 0.00 175.22 175.70 1pav s ASP 65 N 1.58 -0.85 -0.87 1.36 -1.08 -1.26 -5.06 116.67 110.48 1pav s ASP 65 Ca -0.04 1.38 0.00 0.00 -0.52 0.00 0.00 52.55 53.37 1pav s ASP 65 Cb -0.12 1.31 0.27 0.00 -1.46 0.00 0.00 42.92 42.92 1pav s ASP 65 CO -0.05 -0.23 1.05 -2.11 0.52 0.00 0.00 175.17 174.35 1pav n ARG 66 N 4.40 3.33 -0.00 4.34 0.00 -1.26 -3.58 116.66 123.89 1pav n ARG 66 Ca -0.20 -4.59 0.01 0.00 -0.00 0.00 0.00 57.85 53.08 1pav n ARG 66 Cb 0.57 -2.39 -0.02 0.00 -0.00 0.00 0.00 32.46 30.62 1pav n ARG 66 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1pav n ASN 67 N 1.36 3.52 0.00 2.89 2.85 -1.26 -4.94 115.26 119.69 1pav n ASN 67 Ca 0.27 -0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1pav n ASN 67 Cb 0.37 1.11 0.00 0.00 1.24 0.00 0.00 39.78 42.50 1pav n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1pav n GLY 68 N 2.09 -0.14 3.61 8.20 0.00 -1.26 -5.12 105.19 112.56 1pav n GLY 68 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1pav n GLY 68 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pav s TYR 69 N -1.49 -1.26 0.33 1.61 1.13 -1.22 -4.64 117.35 111.82 1pav s TYR 69 Ca 0.00 2.16 -0.22 0.00 -1.41 0.00 0.00 57.07 57.61 1pav s TYR 69 Cb 0.00 0.75 -0.10 0.00 -1.10 0.00 0.00 41.96 41.51 1pav s TYR 69 CO 0.00 -0.63 0.87 1.52 -2.51 0.00 0.00 175.55 174.81 1pav s TYR 70 N 2.84 3.53 0.23 -3.49 -0.85 20.90 -4.23 117.35 136.27 1pav s TYR 70 Ca -0.05 1.58 -0.10 0.00 -0.52 0.00 0.00 57.07 57.98 1pav s TYR 70 Cb -0.11 -2.79 -0.01 0.00 0.38 0.00 0.00 41.96 39.43 1pav s TYR 70 CO -0.19 0.12 0.38 -1.83 -1.52 0.00 0.00 175.55 172.52 1pav s GLU 71 N -2.50 1.43 0.06 -3.49 -1.05 -1.24 2.51 118.70 114.42 1pav s GLU 71 Ca 0.53 -1.32 -0.05 0.00 -0.15 0.00 0.00 54.97 53.98 1pav s GLU 71 Cb -0.14 0.42 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 1pav s GLU 71 CO 0.19 -0.57 0.08 0.42 0.95 0.00 0.00 175.26 176.34 1pav s ILE 72 N -4.04 0.16 0.23 1.83 -1.09 0.81 -4.31 121.20 114.79 1pav s ILE 72 Ca 0.25 -1.35 0.10 0.00 -2.23 0.00 0.00 60.65 57.43 1pav s ILE 72 Cb 0.01 -1.23 -0.05 0.00 -1.58 0.00 0.00 42.46 39.62 1pav s ILE 72 CO 0.09 -0.75 -0.20 0.68 -1.23 0.00 0.00 174.94 173.54 1pav s VAL 73 N -3.41 2.20 -0.16 2.92 -7.23 -1.24 0.53 120.40 114.01 1pav s VAL 73 Ca 0.02 -2.21 -0.13 0.00 -1.81 0.00 0.00 61.98 57.85 1pav s VAL 73 Cb 0.04 -2.13 0.04 0.00 0.56 0.00 0.00 36.38 34.89 1pav s VAL 73 CO -0.08 -0.36 0.41 -0.04 -0.31 0.00 0.00 175.10 174.72 1pav s MET 74 N -3.22 0.46 -0.53 4.82 1.00 0.28 -2.60 119.30 119.51 1pav s MET 74 Ca 0.24 0.62 -0.15 0.00 0.00 0.00 0.00 55.69 56.40 1pav s MET 74 Cb -0.05 0.18 0.13 0.00 0.00 0.00 0.00 34.83 35.09 1pav s MET 74 CO 0.11 -0.08 0.48 0.21 0.00 0.00 0.00 175.02 175.75 1pav s LYS 75 N 0.46 2.94 -0.45 2.03 2.20 1.06 0.33 119.74 128.31 1pav s LYS 75 Ca -0.02 -1.71 -0.42 0.00 -0.36 0.00 0.00 55.97 53.45 1pav s LYS 75 Cb -0.04 -4.26 -0.17 0.00 -1.51 0.00 0.00 37.83 31.84 1pav s LYS 75 CO -0.02 -1.31 2.01 1.63 -0.36 0.00 0.00 175.35 177.29 1pav n LYS 76 N 5.22 0.33 0.00 4.03 4.76 16.26 1.82 118.16 150.57 1pav n LYS 76 Ca -0.13 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1pav n LYS 76 Cb 0.40 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1pav n LYS 76 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1pav n VAL 77 N 5.96 0.33 0.00 -0.18 0.24 1.58 2.46 118.33 128.72 1pav n VAL 77 Ca 0.45 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1pav n VAL 77 Cb 0.03 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 1pav n VAL 77 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98